N-ethyl-N-methyl-1-(2-methylbenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C23H25F3N2O2 — CID 42680423

IUPACN-ethyl-N-methyl-1-(2-methylbenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCCN(C)C(=O)C1CN(C(=O)c2ccccc2C)CC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H25F3N2O2/c1-4-27(3)21(29)20-14-28(22(30)18-11-6-5-8-15(18)2)13-19(20)16-9-7-10-17(12-16)23(24,25)26/h5-12,19-20H,4,13-14H2,1-3H3
InChIKeyHOHRXJCLBLLCBX-UHFFFAOYSA-N
MW418.46 g/mol
LogP4.35
Rot. Bonds4

About N-ethyl-N-methyl-1-(2-methylbenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

N-ethyl-N-methyl-1-(2-methylbenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 42680423) has the molecular formula C23H25F3N2O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is N-ethyl-N-methyl-1-(2-methylbenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-1-(2-methylbenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID42680423
Molecular FormulaC23H25F3N2O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC NameN-ethyl-N-methyl-1-(2-methylbenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCCN(C)C(=O)C1CN(C(=O)c2ccccc2C)CC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H25F3N2O2/c1-4-27(3)21(29)20-14-28(22(30)18-11-6-5-8-15(18)2)13-19(20)16-9-7-10-17(12-16)23(24,25)26/h5-12,19-20H,4,13-14H2,1-3H3
InChIKeyHOHRXJCLBLLCBX-UHFFFAOYSA-N
XLogP4.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-ethyl-N-methyl-1-(2-methylbenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-1-(2-methylbenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-N-methyl-1-(2-methylbenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 42680423) is N-ethyl-N-methyl-1-(2-methylbenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-methyl-1-(2-methylbenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-N-methyl-1-(2-methylbenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is CCN(C)C(=O)C1CN(C(=O)c2ccccc2C)CC1c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-N-methyl-1-(2-methylbenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is HOHRXJCLBLLCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O2/c1-4-27(3)21(29)20-14-28(22(30)18-11-6-5-8-15(18)2)13-19(20)16-9-7-10-17(12-16)23(24,25)26/h5-12,19-20H,4,13-14H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-1-(2-methylbenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
N-ethyl-N-methyl-1-(2-methylbenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-1-(2-methylbenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 42680423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).